(22β)-22-[[(2Z)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid

CAS Registry Number®

467-81-2

CAS Name

(22β)-22-[[(2Z)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid

Molecular Formula

C35H52O5

Molecular Mass

552.78

Cite this Page

(22β)-22-[[(2Z)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=467-81-2 (retrieved 2024-11-24) (CAS RN: 467-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-286 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1

InChIKey

InChIKey=KCLIRHUTOPOHKJ-LSZVMECJSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)C(=O)CC5)[H])[H])(CC(C)(C)C[C@H]2OC(/C(=C\C)/C)=O)[H]

Canonical SMILES

O=C(OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC12C(=O)O)C(=CC)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, (22β)-
  • Olean-12-en-28-oic acid, 22β-hydroxy-3-oxo-, 2-methylcrotonate, (Z)-
  • Olean-12-en-28-oic acid, 22-[(2-methyl-1-oxo-2-butenyl)oxy]-3-oxo-, [22β(Z)]-
  • Rehmannic acid
  • Olean-12-en-28-oic acid, 22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-3-oxo-, (22β)-

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CAS INSIGHTSTM
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